2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C18H20N4O3S — CID 69447060

IUPAC2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CC2)sc2c1CCOC2NCc1ccccn1
InChIInChI=1S/C18H20N4O3S/c19-15(23)13-12-6-8-25-17(21-9-11-3-1-2-7-20-11)14(12)26-18(13)22-16(24)10-4-5-10/h1-3,7,10,17,21H,4-6,8-9H2,(H2,19,23)(H,22,24)
InChIKeyRYEFMHXMQPXSGV-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.95
Rot. Bonds6

About 2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 69447060) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID69447060
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESNC(=O)c1c(NC(=O)C2CC2)sc2c1CCOC2NCc1ccccn1
InChIInChI=1S/C18H20N4O3S/c19-15(23)13-12-6-8-25-17(21-9-11-3-1-2-7-20-11)14(12)26-18(13)22-16(24)10-4-5-10/h1-3,7,10,17,21H,4-6,8-9H2,(H2,19,23)(H,22,24)
InChIKeyRYEFMHXMQPXSGV-UHFFFAOYSA-N
XLogP1.95
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
CID 43433255
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide
CID 112982951
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
1-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 3472038
(3aR,6R,7aR)-4-methylsulfonyl-N-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine-6-carboxamide
CID 97387379
1-(furan-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 35555974
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
2-(cyclopropanecarbonylamino)-6-hydroxy-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 59014280
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
7-bromo-2-(cyclopropanecarbonylamino)-6-hydroxy-1-benzothiophene-3-carboxamide
CID 11233555

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 69447060) is 2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is NC(=O)c1c(NC(=O)C2CC2)sc2c1CCOC2NCc1ccccn1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is RYEFMHXMQPXSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c19-15(23)13-12-6-8-25-17(21-9-11-3-1-2-7-20-11)14(12)26-18(13)22-16(24)10-4-5-10/h1-3,7,10,17,21H,4-6,8-9H2,(H2,19,23)(H,22,24).
What are the key properties of 2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-7-(pyridin-2-ylmethylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 69447060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).